N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine

C15H22ClNO — CID 55036275

IUPACN-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
SMILESCCCNCC(OCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-2-8-17-10-15(18-11-12-6-7-12)13-4-3-5-14(16)9-13/h3-5,9,12,15,17H,2,6-8,10-11H2,1H3
InChIKeyKNWRERZNLICWES-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.81
Rot. Bonds8

About N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine

N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine (PubChem CID 55036275) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
PubChem CID55036275
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine
SMILESCCCNCC(OCC1CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-2-8-17-10-15(18-11-12-6-7-12)13-4-3-5-14(16)9-13/h3-5,9,12,15,17H,2,6-8,10-11H2,1H3
InChIKeyKNWRERZNLICWES-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-chlorophenyl)-2-(cyclopropylmethoxy)-N-methylethanamine
CID 62107327
N-[2-(3-chlorophenyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 55036653
2-(3-chlorophenyl)-2-(cyclohexylmethoxy)ethanamine
CID 62383668
2-(cyclopropylmethoxy)-N-methyl-2-(3-methylphenyl)ethanamine
CID 62106439
2-(3-chlorophenyl)-N-ethyl-2-octoxyethanamine
CID 63474835
N-[2-(3-methoxyphenyl)-2-(oxolan-2-ylmethoxy)ethyl]propan-1-amine
CID 62107945
4-butoxy-2-(3-chlorophenyl)-N-propylbutan-1-amine
CID 79443466
N-[[1-[1-(3-chlorophenyl)ethyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 62512123
N-[2-(3-bromophenyl)-2-(cyclopropylmethoxy)ethyl]cyclopropanamine
CID 62108746
N-[2-(cyclopropylmethoxy)-2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 62106084
N-[2-butan-2-yloxy-2-(3-chlorophenyl)ethyl]cyclopropanamine
CID 62108578
N-[2-(4-chlorophenyl)-2-propoxyethyl]propan-1-amine
CID 55036697

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine (CID 55036275) is N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine is CCCNCC(OCC1CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine?
The InChIKey is KNWRERZNLICWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-2-8-17-10-15(18-11-12-6-7-12)13-4-3-5-14(16)9-13/h3-5,9,12,15,17H,2,6-8,10-11H2,1H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine?
N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(cyclopropylmethoxy)ethyl]propan-1-amine is sourced from PubChem (CID 55036275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).